Rovibrational analysis of molecular collisions using coherent states

A generalization of the Prony method, which fits a set of complex exponenti als to a time dependent signal, is presented. This generalized Prony method is applied to analyze rovibrational dynamics of products in a theoretical treatment of molecular collisions. Employing suitable coherent states an a posteriori quantum analysis can be performed on molecular trajectories with classical nuclei obtained with electron nuclear dynamics theory. Illustrat ive calculations are presented for state resolved cross sections of proton collisions with water molecules and compared to results from crossed beam e xperiments. (C) 2001 American Institute of Physics.